2-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-methyl-6-(p-anisidino)pyrimidin-2-yl]thio]acetonitrile Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC#N)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC#N)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H14N4OS/c1-10-9-13(18-14(16-10)20-8-7-15)17-11-3-5-12(19-2)6-4-11/h3-6,9H,8H2,1-2H3,(H,16,17,18)